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	hartrees
Energy at 0K
Energy at 298.15K	-0.052743
HF Energy	-0.052743
Nuclear repulsion energy	254.867744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1085	1153	0.00
2	A_1g	521	553	0.00
3	A_1g	178	189	0.00
4	A_1u	39i	41i	0.00
5	A_2u	753	800	101.68
6	A_2u	395	420	4.71
7	E_g	853	906	0.00
7	E_g	853	906	0.00
8	E_g	367	390	0.00
8	E_g	367	390	0.00
9	E_g	189	201	0.00
9	E_g	189	201	0.00
10	E_u	855	908	416.57
10	E_u	855	908	416.56
11	E_u	267	283	2.80
11	E_u	267	283	2.80
12	E_u	99	106	2.91
12	E_u	99	106	2.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.773
C2	0.000	0.000	-0.773
Cl3	0.000	1.643	1.386
Cl4	-1.423	-0.821	1.386
Cl5	1.423	-0.821	1.386
Cl6	0.000	-1.643	-1.386
Cl7	-1.423	0.821	-1.386
Cl8	1.423	0.821	-1.386

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5469	1.7533	1.7533	1.7533	2.7130	2.7130	2.7130
C2	1.5469		2.7130	2.7130	2.7130	1.7533	1.7533	1.7533
Cl3	1.7533	2.7130		2.8457	2.8457	4.2984	3.2215	3.2215
Cl4	1.7533	2.7130	2.8457		2.8457	3.2215	3.2215	4.2984
Cl5	1.7533	2.7130	2.8457	2.8457		3.2215	4.2984	3.2215
Cl6	2.7130	1.7533	4.2984	3.2215	3.2215		2.8457	2.8457
Cl7	2.7130	1.7533	3.2215	3.2215	4.2984	2.8457		2.8457
Cl8	2.7130	1.7533	3.2215	4.2984	3.2215	2.8457	2.8457

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.434	C1	C2	Cl7	110.434
C1	C2	Cl8	110.434	C2	C1	Cl3	110.434
C2	C1	Cl4	110.434	C2	C1	Cl5	110.434
Cl3	C1	Cl4	108.492	Cl3	C1	Cl5	108.492
Cl4	C1	Cl5	108.492	Cl6	C2	Cl7	108.492
Cl6	C2	Cl8	108.492	Cl7	C2	Cl8	108.492

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: PM6

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.101
2	C	0.101
3	Cl	-0.034
4	Cl	-0.034
5	Cl	-0.034
6	Cl	-0.034
7	Cl	-0.034
8	Cl	-0.034

	x	y	z
x	13.288	0.000	0.000
y	0.000	13.910	-0.084
z	0.000	-0.084	7.413

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2Cl6 (hexachloroethane)

using model chemistry: PM6

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)